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DOI: 10.19061/iochem-bd-6-516
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Collection's Items (Sorted by Submit Date in Descending order): 1941 to 1960 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | propoxycarbazone-Na_CONF136_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40266155; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF137_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40298829; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF138_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40249183; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40096828; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF140_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40264258; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF142_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40247767; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF148_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40226407; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF160_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40141514; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF166_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40208930; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF168_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40265928; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF170_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40250554; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF171_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40286503; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40110003; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF182_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40226460; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF184_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40271127; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF185_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40260865; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF186_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40245394; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF187_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40241823; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF189_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40249761; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF191_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40269359; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1941 to 1960 of 5986
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